Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7952461434
Compound
Show structure
In order to add this molecule to a collection you have to create an account.
Sign up for free
- InChIKey:
- SMILES:
- InChI:
- Formula:
| Amount | Price
 Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
|---|---|---|---|---|
| 1 mg | 106 USD | 90 | 8 working days | Get Quote |
| 5 mg | 149 USD | N/A | 17 working days | Get Quote |
| 10 mg | 149 USD | N/A | 17 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
- Property calculator Create a physicochemical property profile for the compound in a second.
- Similarity search Find analogs by similarity search.
- Substructure search Find analogs by substructure search.
-
1
MCULE-3735668623
- Component type: Main
-
2
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-7952461434.sdf |
| SMILES | MCULE-7952461434.smiles |
| Standard InChI | MCULE-7952461434.inchi |
| InChIKey | MCULE-7952461434.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886844637 | 95 | As is | in stock |
| P-890114625 | N/A | As is | by synthesis |
| P-903451010 | 95 | As is | 2.5 g |
| P-904763426 | N/A | As is | by synthesis |
| P-889820015 | 95 | As is | by synthesis |
| P-905580148 | 95 | As is | by synthesis |
| P-893784548 | 95 | As is | by synthesis |
| P-867459432 | N/A | Main component | by synthesis |
| P-894677668 | 95 | Main component | in stock |
| P-903313634 | 95 | Main component | 1000 mg |
| P-851585975 | N/A | Main component | by synthesis |
| P-596493983 | 90 | Main component | 1000 mg |
| P-596426305 | 90 | Main component | 1000 mg |
| P-590919097 | 97 | Main component | by synthesis |
| P-613292233 | 95 | Main component | by synthesis |
| P-852386377 | N/A | Main component | in stock |
| P-864052911 | 95 | Main component | by synthesis |
| P-873236960 | 90 | Main component | in stock |
| P-22501115 | 90 | Main component | 54 mg |
| P-855256414 | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 291.257 |
| logP | 4.3642 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 15.27 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 86.4857 |
| Atoms | 42 |
| Rings | 2 |
| Heavy atoms | 18 |
| Hydrogen atoms | 24 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
